(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine

C9H16N2 — CID 87414942

IUPAC(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
SMILESC=N/C=C\C(=N/C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)8(11-5)6-7-10-4/h6-7H,4H2,1-3,5H3/b7-6-,11-8+
InChIKeyHQIDVKDCVZTQCN-BQGCWICQSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds2

About (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine

(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine (PubChem CID 87414942) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
PubChem CID87414942
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
SMILESC=N/C=C\C(=N/C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)8(11-5)6-7-10-4/h6-7H,4H2,1-3,5H3/b7-6-,11-8+
InChIKeyHQIDVKDCVZTQCN-BQGCWICQSA-N
XLogP2.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine?
The IUPAC name of (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine (CID 87414942) is (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine is C=N/C=C\C(=N/C)C(C)(C)C.
What is the InChIKey of (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine?
The InChIKey is HQIDVKDCVZTQCN-BQGCWICQSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)8(11-5)6-7-10-4/h6-7H,4H2,1-3,5H3/b7-6-,11-8+.
What are the key properties of (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine?
(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine is sourced from PubChem (CID 87414942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).